7JQR
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![BU of 7jqr by Molmil](/molmil-images/mine/7jqr) | Abeta 16-36 beta-hairpin mimic with E22G Arctic mutation | Descriptor: | Abeta 16-36 beta-hairpin mimic VAL-ORN-LYS-LEU-VAL-MEA-PHE-ALA-GLY-ORN-ALA-ILE-ILE-GLY-LEU-MET, IODIDE ION | Authors: | Kreutzer, A.G, McKnelly, K.J, Nowick, J.S. | Deposit date: | 2020-08-11 | Release date: | 2021-09-08 | Last modified: | 2022-03-30 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Effects of Familial Alzheimer's Disease Mutations on the Assembly of a beta-Hairpin Peptide Derived from A beta 16-36 . Biochemistry, 61, 2022
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7JQT
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1WD1
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![BU of 1wd1 by Molmil](/molmil-images/mine/1wd1) | Crystal structures of the hyperthermophilic chromosomal protein Sac7d in complex with DNA decamers | Descriptor: | 5'-D(*CP*CP*TP*AP*CP*GP*TP*AP*GP*G)-3', DNA-binding proteins 7a/7b/7d | Authors: | Ko, T.-P, Chu, H.-M, Chen, C.-Y, Chou, C.-C, Wang, A.H.-J. | Deposit date: | 2004-05-10 | Release date: | 2004-08-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structures of the hyperthermophilic chromosomal protein Sac7d in complex with DNA decamers. Acta Crystallogr.,Sect.D, 60, 2004
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5XXD
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5XWR
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![BU of 5xwr by Molmil](/molmil-images/mine/5xwr) | Crystal Structure of RBBP4-peptide complex | Descriptor: | Histone-binding protein RBBP4, MET-SER-ARG-ARG-LYS-GLN-ALA-LYS-PRO-GLN-HIS-ILE | Authors: | Jobichen, C, Lui, B.H, Daniel, G.T, Sivaraman, J. | Deposit date: | 2017-06-30 | Release date: | 2018-07-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Targeting cancer addiction for SALL4 by shifting its transcriptome with a pharmacologic peptide. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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1WM2
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5I2I
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![BU of 5i2i by Molmil](/molmil-images/mine/5i2i) | Structure of cetuximab Fab with cyclic F3Q variant of the meditope | Descriptor: | Cetuximab Fab heavy chain, Cetuximab Fab light chain, Meditope, ... | Authors: | Bzymek, K.P, Williams, J.C. | Deposit date: | 2016-02-08 | Release date: | 2016-10-26 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.551 Å) | Cite: | Natural and non-natural amino-acid side-chain substitutions: affinity and diffraction studies of meditope-Fab complexes. Acta Crystallogr F Struct Biol Commun, 72, 2016
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7KE0
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7K42
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![BU of 7k42 by Molmil](/molmil-images/mine/7k42) | Crystal structure of the second bromodomain (BD2) of human TAF1 bound to dioxane | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, SULFATE ION, ... | Authors: | Karim, M.R, Schonbrunn, E. | Deposit date: | 2020-09-14 | Release date: | 2021-09-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of Dual TAF1-ATR Inhibitors and Ligand-Induced Structural Changes of the TAF1 Tandem Bromodomain. J.Med.Chem., 65, 2022
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7JTJ
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7T9W
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![BU of 7t9w by Molmil](/molmil-images/mine/7t9w) | Crystal structure of the Nsp3 bSM (Betacoronavirus-Specific Marker) domain from SARS-CoV-2 | Descriptor: | CHLORIDE ION, GLYCEROL, Papain-like protease nsp3 | Authors: | Stogios, P.J, Skarina, T, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-12-20 | Release date: | 2021-12-29 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of the Nsp3 bSM (Betacoronavirus-Specific Marker) domain from SARS-CoV-2 To Be Published
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5IEN
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![BU of 5ien by Molmil](/molmil-images/mine/5ien) | Structure of CDL2.2, a computationally designed Vitamin-D3 binder | Descriptor: | 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL, CDL2.2, GLYCEROL | Authors: | Stoddard, B.L, Doyle, L.A. | Deposit date: | 2016-02-25 | Release date: | 2017-03-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.089 Å) | Cite: | Unintended specificity of an engineered ligand-binding protein facilitated by unpredicted plasticity of the protein fold. Protein Eng.Des.Sel., 31, 2018
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7KD5
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![BU of 7kd5 by Molmil](/molmil-images/mine/7kd5) | Structure of the C-terminal domain of the Menangle virus phosphoprotein (residues 329 -388), fused to MBP. Space group P212121 | Descriptor: | 1,2-ETHANEDIOL, Maltodextrin-binding protein and Phosphoprotein fusion protein, PIPERAZINE-N,N'-BIS(2-ETHANESULFONIC ACID), ... | Authors: | Webby, M.N, Kingston, R.L. | Deposit date: | 2020-10-08 | Release date: | 2021-10-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.551 Å) | Cite: | Structural Analysis of the Menangle Virus P Protein Reveals a Soft Boundary between Ordered and Disordered Regions. Viruses, 13, 2021
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7KCU
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![BU of 7kcu by Molmil](/molmil-images/mine/7kcu) | Joint neutron/X-ray structure of Oxyferrous Dehaloperoxidase B | Descriptor: | Dehaloperoxidase B, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Carey, L.M, Ghiladi, R.A, Meilleur, F, Myles, D. | Deposit date: | 2020-10-07 | Release date: | 2021-10-13 | Last modified: | 2023-10-25 | Method: | NEUTRON DIFFRACTION (2.2 Å), X-RAY DIFFRACTION | Cite: | Complementarity of neutron, XFEL and synchrotron crystallography for defining the structures of metalloenzymes at room temperature. Iucrj, 9, 2022
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7TE0
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![BU of 7te0 by Molmil](/molmil-images/mine/7te0) | Structure of the SARS-CoV-2 main protease in complex with inhibitor PF-07321332 | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | Authors: | Yang, K.S, Liu, W.R. | Deposit date: | 2022-01-03 | Release date: | 2022-01-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Evolutionary and Structural Insights about Potential SARS-CoV-2 Evasion of Nirmatrelvir. J.Med.Chem., 65, 2022
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7T2I
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![BU of 7t2i by Molmil](/molmil-images/mine/7t2i) | Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to ZS1-588 | Descriptor: | 1,2-ETHANEDIOL, 4-(6-{1-[(R)-S-methanesulfonimidoyl]cyclopropyl}-2-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine, DIMETHYL SULFOXIDE, ... | Authors: | Karim, M.R, Schonbrunn, E. | Deposit date: | 2021-12-04 | Release date: | 2022-01-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to ZS1-588 To Be Published
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7ECT
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![BU of 7ect by Molmil](/molmil-images/mine/7ect) | Crystal Structure of Aspergillus terreus Glutamate Dehydrogenase (AtGDH) Complexed With Tartrate and NADPH | Descriptor: | GLYCEROL, Glutamate dehydrogenase, L(+)-TARTARIC ACID, ... | Authors: | Godsora, B.K.J, Prakash, P, Punekar, N.S, Bhaumik, P. | Deposit date: | 2021-03-13 | Release date: | 2021-12-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Molecular insights into the inhibition of glutamate dehydrogenase by the dicarboxylic acid metabolites. Proteins, 90, 2022
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7ECR
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![BU of 7ecr by Molmil](/molmil-images/mine/7ecr) | Crystal Structure of Aspergillus terreus Glutamate Dehydrogenase (AtGDH) Complexed With Succinate and ADP-ribose | Descriptor: | GLYCEROL, Glutamate dehydrogenase, SUCCINIC ACID, ... | Authors: | Godsora, B.K.J, Prakash, P, Punekar, N.S, Bhaumik, P. | Deposit date: | 2021-03-13 | Release date: | 2021-12-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Molecular insights into the inhibition of glutamate dehydrogenase by the dicarboxylic acid metabolites. Proteins, 90, 2022
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5Y1H
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![BU of 5y1h by Molmil](/molmil-images/mine/5y1h) | Crystal structure of Plasmodium falciparum aminopeptidase N in complex with (S)-2-(3-(2,4-difluorobenzyl)ureido)-N-hydroxy-4-methylpentanamide | Descriptor: | (2R)-2-[[2,4-bis(fluoranyl)phenyl]methylcarbamoylamino]-4-methyl-N-oxidanyl-pentanamide, GLYCEROL, M1 family aminopeptidase, ... | Authors: | Marapaka, A.K, Zhang, Y, Addlagatta, A. | Deposit date: | 2017-07-20 | Release date: | 2018-08-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Crystal structure of Plasmodium falciparum aminopeptidase N in complex with (S)-2-(3-(2,4-difluorobenzyl)ureido)-N-hydroxy-4-methylpentanamide To Be Published
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5Y1R
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5IAO
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5I8Z
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![BU of 5i8z by Molmil](/molmil-images/mine/5i8z) | Crystal structure of B. pseudomallei FabI in complex with NAD and PT12 | Descriptor: | 5-HEXYL-2-(4-NITROPHENOXY)PHENOL, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Hirschbeck, M.W, Eltschkner, S, Tonge, P.J, Kisker, C. | Deposit date: | 2016-02-19 | Release date: | 2017-02-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.623 Å) | Cite: | Rationalizing the Binding Kinetics for the Inhibition of the Burkholderia pseudomallei FabI1 Enoyl-ACP Reductase. Biochemistry, 56, 2017
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1WTW
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![BU of 1wtw by Molmil](/molmil-images/mine/1wtw) | Hyperthermophile chromosomal protein SAC7D single mutant V26A in complex with DNA GCGATCGC | Descriptor: | 5'-D(*GP*CP*GP*AP*TP*CP*GP*C)-3', DNA-binding proteins 7a/7b/7d | Authors: | Chen, C.-Y, Ko, T.-P, Lin, T.-W, Chou, C.-C, Chen, C.-J, Wang, A.H.-J. | Deposit date: | 2004-11-29 | Release date: | 2005-02-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Probing the DNA kink structure induced by the hyperthermophilic chromosomal protein Sac7d NUCLEIC ACIDS RES., 33, 2005
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5YHP
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![BU of 5yhp by Molmil](/molmil-images/mine/5yhp) | Proline iminopeptidase from Psychrophilic yeast glaciozyma antarctica | Descriptor: | CITRATE ANION, Cold active proline iminopeptidase | Authors: | Rodzli, N.A, Kamaruddin, S, Jonet, A, Seman, W.M.K.W, Tab, M.M, Minor, N, Jaafar, N.R, Mahadi, N.M, Murad, A.M.A, Bakar, F.D.A, Illias, R.M.D. | Deposit date: | 2017-09-29 | Release date: | 2017-10-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.393 Å) | Cite: | Proline iminopeptidase from Psychrophilic yeast glaciozyma antarctica To Be Published
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7KOT
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